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Potassium Hydrogen Phthalate Extra Pure

CAT: 1442-1161260 500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1442-1161260 500Size:500 mg
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CAS Number
877-24-7
Molecular Formula
HOOCC6H4COOK
Molecular Weight
204.22
HSN Code
29173990

Chemical Information

Potassium hydrogen phthalate
CAS Number877-24-7
PubChem CID23676735
IUPAC Namepotassium 2-carboxybenzoate
Molecular FormulaC8H5KO4
Molecular Weight204.22
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity204
SMILES
C1=CC=C(C(=C1)C(=O)O)C(=O)[O-].[K+]
InChI
InChI=1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKey
IWZKICVEHNUQTL-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Potassium hydrogen phthalate
CAS: 877-24-7
CID: 23676735
Formula: C8H5KO4
MW: 204.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.22
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass203.98249012
Monoisotopic Mass203.98249012
Topological Polar Surface Area77.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes